Basic information
- CAS
64048-28-8- Standard SMILES
C[N+](C)(C)c1cccc(OC(=O)c2cccc(Cl)c2)c1.[Br-]- InChIKey
RVPYACGFEOZHMA-UHFFFAOYSA-M- Molecular formula
- C16H17BrClNO2
- Average molar mass
- 370.7 g/mol
- Monoisotopic mass
- 369.01312
Names & identifiers
- Preferred name
- Ammonium, 3-(m-chlorobenzoyloxy)phenyltrimethyl-, bromide
- IUPAC
- [3-(3-chlorobenzoyl)oxyphenyl]-trimethylazanium bromide
Names & synonyms
Ro 2-279464048-28-83-(m-Chlorobenzoyloxy)phenyltrimethylammonium bromideAMMONIUM, 3-(m-CHLOROBENZOYLOXY)PHENYLTRIMETHYL-, BROMIDERefChem:319133DTXSID509822663-[(3-chlorobenzoyl)oxy]-N,N,N-trimethylanilinium bromide
Database identifiers
- CAS
64048-28-8- PubChem CID
- 46756
- DTXSID
DTXSID50982266
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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